SCHEMBL20714977

SCHEMBL20714977

CNc1cccc(CNC(=N)N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NOS1 P29475 5/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
PTPN1 P18031 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PRSS1 P07477 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26005245 0.85 ROCK2 (0.43) ROCK2ROCK1NOS1AURKAAURKB
SCHEMBL23135393 0.84 AURKA (0.40) NOS1AURKAMAPTPKMALDH1A1
SCHEMBL16181566 0.83 NOS1 (0.54) NOS1MAPTPKMALDH1A1LMNA
SCHEMBL23135375 0.81 IDO1 (0.40) MAPTLMNAPTPN1PRSS1F7
SCHEMBL10648740 0.79 TAAR1 (0.56) AURKAALDH1A1LMNAF10
SCHEMBL23135392 0.79 ADRA2A (0.41) NOS1ALDH1A1PTPN1PRSS1F7
SCHEMBL694147 0.78 CYP1A2 (0.54) ROCK2ROCK1MAPTPKMALDH1A1
SCHEMBL2717977 0.77 PRSS1 (0.55) NOS1MAPTPKMALDH1A1LMNA
SCHEMBL14470339 0.77 ALDH1A1 (0.46) NOS1MAPTPKMALDH1A1LMNA
SCHEMBL17701355 0.77 PKM (0.61) ROCK2ROCK1AURKAAURKBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 US disclosed
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 US disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 US disclosed
WO-2019027366-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand MSR1, RXRA, MLX ROCK2 2973/4885ROCK1 3063/4885NOS1 4422/4885
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND MSR1, RXRA, MLX ROCK2 2973/4885ROCK1 3063/4885NOS1 4422/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.